tert-butyl 4-[4-oxo-6-[4-(trifluoromethoxy)phenyl]-1,2,3-benzotriazin-3-yl]piperidine-1-carboxylate

C24H25F3N4O4 — CID 70974610

IUPACtert-butyl 4-[4-oxo-6-[4-(trifluoromethoxy)phenyl]-1,2,3-benzotriazin-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3c2=O)CC1
InChIInChI=1S/C24H25F3N4O4/c1-23(2,3)35-22(33)30-12-10-17(11-13-30)31-21(32)19-14-16(6-9-20(19)28-29-31)15-4-7-18(8-5-15)34-24(25,26)27/h4-9,14,17H,10-13H2,1-3H3
InChIKeyOEWLESYVZNXGTC-UHFFFAOYSA-N
MW490.48 g/mol
LogP4.93
Rot. Bonds3

About tert-butyl 4-[4-oxo-6-[4-(trifluoromethoxy)phenyl]-1,2,3-benzotriazin-3-yl]piperidine-1-carboxylate

tert-butyl 4-[4-oxo-6-[4-(trifluoromethoxy)phenyl]-1,2,3-benzotriazin-3-yl]piperidine-1-carboxylate (PubChem CID 70974610) has the molecular formula C24H25F3N4O4 and a molecular weight of 490.48 g/mol. Its IUPAC name is tert-butyl 4-[4-oxo-6-[4-(trifluoromethoxy)phenyl]-1,2,3-benzotriazin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-oxo-6-[4-(trifluoromethoxy)phenyl]-1,2,3-benzotriazin-3-yl]piperidine-1-carboxylate
PubChem CID70974610
Molecular FormulaC24H25F3N4O4
Molecular Weight490.48 g/mol
Exact Mass490.18
IUPAC Nametert-butyl 4-[4-oxo-6-[4-(trifluoromethoxy)phenyl]-1,2,3-benzotriazin-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3c2=O)CC1
InChIInChI=1S/C24H25F3N4O4/c1-23(2,3)35-22(33)30-12-10-17(11-13-30)31-21(32)19-14-16(6-9-20(19)28-29-31)15-4-7-18(8-5-15)34-24(25,26)27/h4-9,14,17H,10-13H2,1-3H3
InChIKeyOEWLESYVZNXGTC-UHFFFAOYSA-N
XLogP4.93
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[4-oxo-6-[4-(trifluoromethoxy)phenyl]-1,2,3-benzotriazin-3-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[3-[[2,6-dichloro-4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 66671541
tert-butyl 4-[4-[2-hydroxy-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 171115707
3-but-3-ynyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3-benzotriazin-4-one
CID 89154320
tert-butyl 4-[3-[4-[difluoro(phosphanyl)methoxy]phenyl]-5-propan-2-ylpyrazol-1-yl]piperidine-1-carboxylate
CID 176921218
tert-butyl 4-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]piperazine-1-carboxylate
CID 23081198
tert-butyl 3-[amino-[2-amino-5-[4-(trifluoromethoxy)phenyl]benzoyl]amino]pyrrolidine-1-carboxylate
CID 134219199
tert-butyl (5R)-2-oxo-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]pyrrolidine-1-carboxylate
CID 91185816
3-[(4-aminophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]-1,2,3-benzotriazin-4-one
CID 89181325
tert-butyl 4-[3-carbamoyl-5-(2-fluoro-4-pyridinyl)indazol-1-yl]piperidine-1-carboxylate
CID 175283411
tert-butyl 4-(4,9-dioxobenzo[f]benzotriazol-3-yl)piperidine-1-carboxylate
CID 25194500
tert-butyl 4-[[2-[4-(trifluoromethoxy)phenoxy]phenyl]carbamoyl]piperidine-1-carboxylate
CID 15952444
tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1-oxophthalazin-2-yl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-oxo-6-[4-(trifluoromethoxy)phenyl]-1,2,3-benzotriazin-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-oxo-6-[4-(trifluoromethoxy)phenyl]-1,2,3-benzotriazin-3-yl]piperidine-1-carboxylate (CID 70974610) is tert-butyl 4-[4-oxo-6-[4-(trifluoromethoxy)phenyl]-1,2,3-benzotriazin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-oxo-6-[4-(trifluoromethoxy)phenyl]-1,2,3-benzotriazin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-oxo-6-[4-(trifluoromethoxy)phenyl]-1,2,3-benzotriazin-3-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3c2=O)CC1.
What is the InChIKey of tert-butyl 4-[4-oxo-6-[4-(trifluoromethoxy)phenyl]-1,2,3-benzotriazin-3-yl]piperidine-1-carboxylate?
The InChIKey is OEWLESYVZNXGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O4/c1-23(2,3)35-22(33)30-12-10-17(11-13-30)31-21(32)19-14-16(6-9-20(19)28-29-31)15-4-7-18(8-5-15)34-24(25,26)27/h4-9,14,17H,10-13H2,1-3H3.
What are the key properties of tert-butyl 4-[4-oxo-6-[4-(trifluoromethoxy)phenyl]-1,2,3-benzotriazin-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-oxo-6-[4-(trifluoromethoxy)phenyl]-1,2,3-benzotriazin-3-yl]piperidine-1-carboxylate has a molecular weight of 490.48 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-oxo-6-[4-(trifluoromethoxy)phenyl]-1,2,3-benzotriazin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 70974610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).